4-(6-ethylsulfanylhexoxycarbonylamino)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(6-ethylsulfanylhexoxycarbonylamino)-2-oxidanyl-benzoic acid Openeye Name: 4-(6-ethylsulfanylhexoxycarbonylamino)-2-hydroxy-benzoic acid CAS Name: 4-[[6-(ethylthio)hexoxy-oxomethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-(6-ethylsulfanylhexoxycarbonylamino)-2-hydroxybenzoic acid Traditional Name: 4-[6-(ethylthio)hexoxycarbonylamino]-2-hydroxy-benzoic acid Formula: C16H23NO5S MolecularWeight: 341.42252

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)O)O

Isomeric SMILES

CCSCCCCCCOC(=O)NC1=CC(=C(C=C1)C(=O)O)O

InChI

InChI=1S/C16H23NO5S/c1-2-23-10-6-4-3-5-9-22-16(21)17-12-7-8-13(15(19)20)14(18)11-12/h7-8,11,18H,2-6,9-10H2,1H3,(H,17,21)(H,19,20)